oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate

C11H14O3S — CID 4134547

IUPACoxolan-2-ylmethyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC1CCCO1
InChIInChI=1S/C11H14O3S/c1-8-4-6-15-10(8)11(12)14-7-9-3-2-5-13-9/h4,6,9H,2-3,5,7H2,1H3
InChIKeySGVJYDQCVLJVJP-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.39
Rot. Bonds3

About oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate

oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate (PubChem CID 4134547) has the molecular formula C11H14O3S and a molecular weight of 226.30 g/mol. Its IUPAC name is oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Nameoxolan-2-ylmethyl 3-methylthiophene-2-carboxylate
PubChem CID4134547
Molecular FormulaC11H14O3S
Molecular Weight226.30 g/mol
Exact Mass226.07
IUPAC Nameoxolan-2-ylmethyl 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC1CCCO1
InChIInChI=1S/C11H14O3S/c1-8-4-6-15-10(8)11(12)14-7-9-3-2-5-13-9/h4,6,9H,2-3,5,7H2,1H3
InChIKeySGVJYDQCVLJVJP-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-thenoate
CID 76052
Methyl 3-methylthiophene-2-carboxylate
CID 580757
Methyl 4-methylthiophene-2-carboxylate
CID 2777593
(2-Oxooxolan-3-yl) 3-methylthiophene-2-carboxylate
CID 2997616
Butyl 2-thenoate
CID 91997
Methyl 3-formylthiophene-2-carboxylate
CID 255849
4-(Methoxymethyl)thiophene-2-carboxylic acid
CID 15007381
Ethyl 2-methylthiophene-3-carboxylate
CID 10464736
2-Thiophenecarboxylic acid, propyl ester
CID 573763
Methyl 3-(hydroxymethyl)thiophene-2-carboxylate
CID 17862582
4H-Thieno[2,3-c]furan-6-one
CID 22398911
Methyl 3-ethenylthiophene-2-carboxylate
CID 57776856

Frequently Asked Questions

What is the IUPAC name of oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate?
The IUPAC name of oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate (CID 4134547) is oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate.
What is the SMILES notation for oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate?
The canonical SMILES for oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC1CCCO1.
What is the InChIKey of oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate?
The InChIKey is SGVJYDQCVLJVJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3S/c1-8-4-6-15-10(8)11(12)14-7-9-3-2-5-13-9/h4,6,9H,2-3,5,7H2,1H3.
What are the key properties of oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate?
oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate has a molecular weight of 226.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-2-ylmethyl 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 4134547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).